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CHEBI:97256 - 2-[(2R,4aR,12aS)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-chlorophenyl)methyl]acetamide

ChEBI IDCHEBI:97256
ChEBI Name2-[(2R,4aR,12aS)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-chlorophenyl)methyl]acetamide
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DownloadsMolfile
FormulaC29H32ClN5O6
Net Charge0
Average Mass582.057
Monoisotopic Mass581.20411
SMILESCc1noc(C)c1NC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCc3ccc(Cl)cc3)O[C@@H]1CO2
InChIInChI=1S/C29H32ClN5O6/c1-16-27(17(2)41-34-16)33-29(38)32-20-8-11-24-22(12-20)28(37)35(3)23-10-9-21(40-25(23)15-39-24)13-26(36)31-14-18-4-6-19(30)7-5-18/h4-8,11-12,21,23,25H,9-10,13-15H2,1-3H3,(H,31,36)(H2,32,33,38)/t21-,23-,25-/m1/s1
InChIKeyVDMGESCZGFUZFC-GZGNHOFSSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2R,4aR,12aS)-8-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(4-chlorophenyl)methyl]acetamide (CHEBI:97256) is a organochlorine compound (CHEBI:36683)
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